sodium 3-prop-2-enoxycarbonyl-3-sulfo-hexadecanoate

Systemtic Name: sodium 3-prop-2-enoxycarbonyl-3-sulfo-hexadecanoate Openeye Name: sodium 3-allyloxycarbonyl-3-sulfo-hexadecanoate CAS Name: sodium 3-[oxo(prop-2-enoxy)methyl]-3-sulfohexadecanoate IUPAC Name: sodium 3-prop-2-enoxycarbonyl-3-sulfohexadecanoate Traditional Name: sodium 3-allyloxycarbonyl-3-sulfo-palmitate Formula: C20H35NaO7S MolecularWeight: 442.54247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)[O-])(C(=O)OCC=C)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)[O-])(C(=O)OCC=C)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H36O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-20(17-18(21)22,28(24,25)26)19(23)27-16-4-2;/h4H,2-3,5-17H2,1H3,(H,21,22)(H,24,25,26);/q;+1/p-1